my tasks :
waiting for validation (13503)
Validation inconclusive (14374)

so, need to wait ;)

That is such a good idea! I'm going to get out my waffle maker and treat my kids to Belgian waffles with peanut butter and hot maple syrup :-)

The scheduler manage both "nwchem" and "nwchem long" WU. It seems that the mix is not well balanced... I implement somerthing to accelerate wingman resends, but it seems that to many "nwchem" were invalid and it saturates the scheduler. I'll try several other things after the formulaboinc sprint

I have a bunch of stale unvalidated WUs as well. I wonder if they're from a bad batch that got cancelled before everything finished?

I'm not getting any beta or NWChemLong WUs. Any available?
What's the trick?

Run test applications?	Yes
Run only the selected applications:
NWChem: no
NWChem long: yes
If no work for selected applications is available, accept work from other applications?	no
Max # jobs	No limit
Max # CPUs	No limit

I have 5 work units pending since at least the 13th of May, all had a wingman who aborted their work units (host 2132) and they have not been resent out yet.

The hosts are real otherwise they can't abort work units but it is taking awhile to get the work out to a new host.

I can wait.

Conan

But on Boinc from the first hours (past century) Look my ID on Boinc, look "the team" I am founder. 111th since creation
ofr BOINC.I think I have enough knownledge to configure hosts.

So long time on boinc and you are not able to quote a post correctly.

Hello,

Please look my host 956, i7-2600K-Virtualisation Bios enable-Win7Ult x64.
All the WU ends in error : VM requires acceleration but the config can not support it !!!
Host details "Virtualbox installed.......... but disabled " !!!.
Can someone tell me, where inside Windows7 we can enable/disable virtualization ?


OK so far, but please look host 1764 : it is a virtual machine mounted on host 956, running Linux on one core, 10Gb virtualdisk.
I repeat, on host 956, with the VB given by Boinc
And it works ! Look WU 859617 or 855793 who ran successfully.

Strange on a computer with virtual "disabled"

It only seems that there are problems with the WU under Win.

The only solution : install virtual machine !

you're jumping too quickly to the conclusion that suits you.
Our Windows WU's require acceleration for obvious performance reasons, but it is possible to install a Linux VM without acceleration and get linux WU's . In this case, the efficiency is likely to be quite bad. In any case, it's not a diagnosis of a problem with our Windows WU, it's expected.

So, it's not the WUs that have a problem, but the configuration of your machine (hardware and software versions) that doesn't work properly with the tools provided by BOINC developpers. And yes, you're not the only one with this problem, and I'm sorry for that. I specify again that I did not modify the virtualbox wrapper provided by Berkeley. Probably, that the most stable projects have invested time to modify the official version, but I'm alone and I don't have that time. Our application is developed for Linux. The Windows and Mac applications we provide are a bonus. If that doesn't work for you, I'm sorry.

Instead of producing WU, it woul be better first to solve the problems !!!
On the same host, some WU runs into 1 or 2 hours, others stays at 100% after 10 hours !
The worst is that some WU (same host of course) take 4 hours , others take one hour and for the same credit (200)
And some needs only 30 minuts to run !
So please solve it or change CR system.
Fropm now, on all my hosts, each WU above two hours are cancelled.
It is not the goal of project, but I will not monopolyze my cores for nothing

It's not a problem to be solved. These Calculations are unpredictable by nature. I've already talked a lot about it on the forum. The fixed credit is much more advantageous for the participants in average. (200 credit for 1.5 hours per core in average)

all your messages here are to complain in a disrespectful way. I don't give a shit about the credits and I've already spent way too much time on it, testing multiple systems. If for you it prevails over scientific research, just quit !

Dear Quchempedia crunchers!

First generation of our newly generated small molecules is almost finished. Thanks again.

We have two propositions for the new phase of calculations :

1. Make a pause (maybe a month or so), in order to parse and treat the recent calculations, learn from the success and failures of the calculations and then generate new small molecules. Probably with a little bit more than 9 atoms.

2. Take some of the newly generated compounds, add them to a core (BTX) used in the chemistry lab here in Angers (see the abstract of this article https://pubs.rsc.org/en/content/articlelanding/2019/nj/c9nj05804d/unauth#!divAbstract) to demonstrate how we can use our newly generated molecules inside a real system, to show how a fragment can modify the core properties and to serve as a screening example. These calculations are very interesting and can lead to very nice applications (drugs and materials).

Beware that the second choice, means that the molecules will have more than 9 heavy atoms, probably more than 30 and so calculations could take days. The good news is that the next workunits will implement checkpointing. Boinc will not be able to display the real level of progress and will think that the calculation starts again from the beginning. But we've run some tests and the calculations restart from the very last step. The expected calculation times will always be very approximate and unreliable, we will voluntarily choose a slightly high value.

If you choose the first option, we will calculate the BTX ones with our private ressources and we will post a news when we will have treated and generated new small molecules.

Thank you for giving your choices and opinions under this post.

Kindly,
Thomas and Benoit

CPU usage is low, you can cancel. There is a problem with vbox guest additions that prevents access to work unit data and code.

Current work units should be short (<12h) with a mean runtime of 1.5 hours.

However, for the next batches this rule of thumb will no longer apply, target runtime should be around 12h-24h with huge variability due to large molecular systems.